133164-11-1
Product Name:
OXYPEUCEDANIN HYDRATE
Formula:
C16H16O6
Synonyms:
4-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 2739 |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 304.29 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 304.09468823 g/mol |
| Monoisotopic Mass | 304.09468823 g/mol |
| Topological Polar Surface Area | 89.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 460 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |